On the effects of the basis set superposition error on the change of QTAIM charges in adduct formation. Application to complexes between morphine and cocaine and their main metabolites

  1. Rincón, D.A.
  2. Cordeiro, M.N.D.S.
  3. Mosquera, R.A.
Revista:
RSC Advances

ISSN: 2046-2069

Ano de publicación: 2016

Volume: 6

Número: 112

Páxinas: 110642-110655

Tipo: Artigo

DOI: 10.1039/C6RA22736H GOOGLE SCHOLAR